3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluorothiochroman-4-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-fluorothiochroman-4-yl)-1-methyl-pyrazole-4-carboxamide Formula: C23H22FN3O3S MolecularWeight: 439.502483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4CCSC5=C4C=C(C=C5)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4CCSC5=C4C=C(C=C5)F

InChI

InChI=1S/C23H22FN3O3S/c1-27-13-17(22(26-27)14-3-5-19-20(11-14)30-9-2-8-29-19)23(28)25-18-7-10-31-21-6-4-15(24)12-16(18)21/h3-6,11-13,18H,2,7-10H2,1H3,(H,25,28)